MMsINC Database Search


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MMsINC code: MMs01704578

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1ccccc1C(OC(C(=O)N1CCOCC1)c1ccccc1)=O

InChI:

InChI=1/C19H18FNO4/c20-16-9-5-4-8-15(16)19(23)25-17(14-6-2-1-3-7-14)18(22)21-10-12-24-13-11-21/h1-9,17H,10-13H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.02 kcal/mol

Physical Properties
Molecular Weight: 343.354 g/mol	logS: -4.18755	SlogP: 2.6781	Reactive groups: 0

Topological Properties
Globularity: 0.139069	Sterimol/B1: 2.48107	Sterimol/B2: 3.36769	Sterimol/B3: 4.88528
Sterimol/B4: 8.47038	Sterimol/L: 15.5778

Surface and Volume Properties
Accessible surface: 571.51	Positive charged surface: 358.252	Negative charged surface: 213.258	Volume: 315
Hydrophobic surface: 503.96	Hydrophilic surface: 67.55

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.